Yachao Dong

Dr. Yachao Dong

Frontiers Science Center for Smart Materials Oriented Chemical Engineering, Institute of Chemical Process Systems Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China

Research Focus & Metrics

Academic Career Length

16Years (2011-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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13 July 2023 in Processes
Verified
Journal Article
Open access
PDF file
Yachao DongYachao Dong
Yachao Dong
TYTing Yang
Ting Yang
YXYafeng Xing
Yafeng Xing
JDJian Du
Jian Du
QMQingwei Meng
Qingwei Meng
As one of the most influential industries in public health and the global economy, the pharmaceutical industry is facing multiple challenges in drug research, development and manufacturing. With recent developments in artificial intelligence and machine learning, data-driven modeling methods and techniques have enabled fast and accurate modeling for drug molecular design, retrosynthetic analysis, chemical reaction outcome prediction, manufacturing process optimization, and many other aspects in the pharmaceutical industry. This article provides a review of data-driven methods applied in pharmaceutical processes, based on the mathematical and algorithmic principles behind the modeling methods. Different statistical tools, such as multivariate tools, Bayesian inferences, and machine learning approaches, i.e., unsupervised learning, supervised learning (including deep learning) and reinforcement learning, are presented. Various applications in the pharmaceutical processes, as well as the connections from statistics and machine learning methods, are discussed in the narrative procedures of introducing different types of data-driven models. Afterwards, two case studies, including dynamic reaction data modeling and catalyst-kinetics prediction of cross-coupling reactions, are presented to illustrate the power and advantages of different data-driven models. We also discussed current challenges and future perspectives of data-driven modeling methods, emphasizing the integration of data-driven and mechanistic models, as well as multi-scale modeling.

1 May 2021 in Energy Conversion and Management
Verified
Journal Article
Closed access
XSXiaojing Sun
Xiaojing Sun
LLLinlin Liu
Linlin Liu
Yachao DongYachao Dong
Yachao Dong
YZYu Zhuang
Yu Zhuang
JLJiao Li
Jiao Li
HYHongChao Yin
HongChao Yin

1 June 2017 in Computers & Chemical Engineering
Verified
Journal Article
Closed access
Yachao DongYachao Dong
Yachao Dong
CMChristos T. Maravelias
Christos T. Maravelias
JPJose M. Pinto
Jose M. Pinto
ASArul Sundaramoorthy
Arul Sundaramoorthy

1 August 2017 in European Journal of Operational Research
Verified
Journal Article
Closed access
SVSara Velez
Sara Velez
Yachao DongYachao Dong
Yachao Dong
Christos T. MaraveliasChristos T. Maravelias
Christos T. Maravelias

11 June 2014 in Industrial & Engineering Chemistry Research
Verified
Journal Article
Closed access
Yachao DongYachao Dong
Yachao Dong
JPJose M. Pinto
Jose M. Pinto
ASArul Sundaramoorthy
Arul Sundaramoorthy
Christos T. MaraveliasChristos T. Maravelias
Christos T. Maravelias

5 April 2018 in Optimization and Engineering
Verified
Journal Article
Closed access
PDF file
Yachao DongYachao Dong
Yachao Dong
Christos T. MaraveliasChristos T. Maravelias
Christos T. Maravelias
NJNorman F. Jerome
Norman F. Jerome